Molecule
ID:19972
General Information
Molecular Formula
C₁₂H₁₀FNO
Molecular Mass
203.2123032
Exact Mass
203.07464217
Charge
0
InChI
InChI=1S/C12H10FNO/c13-9-6-7-12(11(14)8-9)15-10-4-2-1-3-5-10/h1-8H,14H2
InChIKey
RMYDPTVQMJEGLG-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)N)Oc1ccccc1
Isomeric Smiles
c1(c(cc(cc1)F)N)Oc1ccccc1
Calculated Properties
JChem
Acid pKa
19.13296
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.7871764
LogD (pH = 7.4)
2.7873073
Log P
2.787309
Molar Refractivity
57.2156
Polarizability
21.446644
Polar Surface Area
35.25
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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